5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C15H26ClN3O2 — CID 114926132

IUPAC5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(CCOC)c1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C15H26ClN3O2/c1-12(2)17-10-13-9-15(18-11-14(13)16)19(5-7-20-3)6-8-21-4/h9,11-12,17H,5-8,10H2,1-4H3
InChIKeyPCAODWVCUSWFFC-UHFFFAOYSA-N
MW315.85 g/mol
LogP2.33
Rot. Bonds10

About 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 114926132) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID114926132
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(CCOC)c1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C15H26ClN3O2/c1-12(2)17-10-13-9-15(18-11-14(13)16)19(5-7-20-3)6-8-21-4/h9,11-12,17H,5-8,10H2,1-4H3
InChIKeyPCAODWVCUSWFFC-UHFFFAOYSA-N
XLogP2.33
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 114927139
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
5-chloro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925475
5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926548
N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66451039
5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925172
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
CID 114925957
5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282182
5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926489
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849511
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293030

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 114926132) is 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is COCCN(CCOC)c1cc(CNC(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is PCAODWVCUSWFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O2/c1-12(2)17-10-13-9-15(18-11-14(13)16)19(5-7-20-3)6-8-21-4/h9,11-12,17H,5-8,10H2,1-4H3.
What are the key properties of 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 315.85 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 114926132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).